2-(2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)ethanoic acid

Systemtic Name: 2-(2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)ethanoic acid Openeye Name: 2-(2-thioxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)acetic acid CAS Name: 2-(2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)acetic acid IUPAC Name: 2-(2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)acetic acid Traditional Name: 2-(2-thioxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)acetic acid Formula: C9H13NO2S2 MolecularWeight: 231.33502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)N(C(=S)S2)CC(=O)O

Isomeric SMILES

C1CCC2C(C1)N(C(=S)S2)CC(=O)O

InChI

InChI=1S/C9H13NO2S2/c11-8(12)5-10-6-3-1-2-4-7(6)14-9(10)13/h6-7H,1-5H2,(H,11,12)